N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide

C15H20ClNO2 — CID 114300283

IUPACN-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC(CCl)Cc1ccccc1
InChIInChI=1S/C15H20ClNO2/c1-11-14(7-8-19-11)15(18)17-13(10-16)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,18)
InChIKeyOMVHGILTUSRVCP-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.38
Rot. Bonds5

About N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide

N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide (PubChem CID 114300283) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide
PubChem CID114300283
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC(CCl)Cc1ccccc1
InChIInChI=1S/C15H20ClNO2/c1-11-14(7-8-19-11)15(18)17-13(10-16)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,18)
InChIKeyOMVHGILTUSRVCP-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide
CID 113272332
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide
CID 107861447
(2S)-3-(4-hydroxyphenyl)-2-[(2-methyloxolane-3-carbonyl)amino]propanoic acid
CID 79754853
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 82728421
2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 110015652
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
(2R)-2-[(3-methyloxolane-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901954
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
N-(1-chloro-3-phenylpropan-2-yl)-3,3-dimethylbutanamide
CID 114300429

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide (CID 114300283) is N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NC(CCl)Cc1ccccc1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide?
The InChIKey is OMVHGILTUSRVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-14(7-8-19-11)15(18)17-13(10-16)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,18).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide?
N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 114300283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).